From owner-chemistry@ccl.net Mon May 4 14:16:01 2015 From: "Grigoriy Zhurko reg_zhurko/a\chemcraftprog.com" To: CCL Subject: CCL: How to insert basic set manually in GAMES? Message-Id: <-51341-150504130141-5668-i5nz4ad2yUk+gyt49L/y+A[#]server.ccl.net> X-Original-From: Grigoriy Zhurko Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii Date: Mon, 4 May 2015 20:01:29 +0400 MIME-Version: 1.0 Sent to CCL by: Grigoriy Zhurko [reg_zhurko^-^chemcraftprog.com] Dear CCL Subscribers, Our program Chemcraft (www.chemcraftprog.com) provides a tool for automatic generation of #DATA, #ECP sections of Gamess input files with non-standard basis sets. The user needs to find the basis set at http://www.emsl.pnl.gov/forms/basisform.html, then insert the text into Chemcraft window, and then Chemcraft will generate the input file sections with the data from this basis set. > Sent to CCL by: "Shawkat Islam" [sislam===swin.edu.au] > Hi, I want to use two different basic sets for my molecule, one of which is > not in the GAMES default basic set. How I can I insert that manually in the > input files? > Thanks Sincerely, Grigoriy Zhurko.